8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
TL;DR: 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 101071-97-0) is a chemical compound with molecular formula C9H11BrN4O2 and molecular weight 286.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-bromo-3-methyl-7-propylpurine-2,6-dione
Also Known As: 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-3-methyl-7-propylpurine-2,6-dione, BAS 00162567, 8-bromo-3-methyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-3-methyl-7-propyl-
| Molecular Formula | C9H11BrN4O2 |
|---|---|
| Molecular Weight | 286.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 67.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.00653 |
| Heavy Atoms | 16 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 101071-97-0 |
|---|---|
| SMILES | CCCN1C2=C(N=C1Br)N(C(=O)NC2=O)C |
| InChIKey | VGFFHBADFGHZQK-UHFFFAOYSA-N |
Product Overview
8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione (CAS 101071-97-0), with molecular formula C9H11BrN4O2 and molecular weight 286.01 g/mol. IUPAC: 8-bromo-3-methyl-7-propylpurine-2,6-dione.
Chemical Property Profile of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
Property Insights of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione. The TPSA of 67.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The CAS number of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 101071-97-0.
What is the molecular formula of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular formula of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is C9H11BrN4O2.
What is the molecular weight of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
The molecular weight of 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione is 286.01 g/mol.
Where can I buy 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
You can request a quote for 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-bromo-3-methyl-7-propyl-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.